N-(1-adamantyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]propionamide Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CC=C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=C(C=CC(=C5)Cl)C(=O)N4CC=C

InChI

InChI=1S/C24H28ClN3O2S/c1-3-6-28-22(30)19-5-4-18(25)10-20(19)26-23(28)31-14(2)21(29)27-24-11-15-7-16(12-24)9-17(8-15)13-24/h3-5,10,14-17H,1,6-9,11-13H2,2H3,(H,27,29)